(3E,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraene

C15H24 — CID 5281516

IUPAC(3E,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraene
SMILESC=C/C(C)=C/C/C=C(\C)CCC=C(C)C
InChIInChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9-10,12H,1,7-8,11H2,2-5H3/b14-10+,15-12+
InChIKeyCXENHBSYCFFKJS-VDQVFBMKSA-N
MW204.36 g/mol
LogP5.20
Rot. Bonds6

About (3E,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraene

(3E,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraene (PubChem CID 5281516) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is (3E,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraene.

Molecular Properties

Compound Name(3E,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraene
PubChem CID5281516
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name(3E,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraene
SMILESC=C/C(C)=C/C/C=C(\C)CCC=C(C)C
InChIInChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9-10,12H,1,7-8,11H2,2-5H3/b14-10+,15-12+
InChIKeyCXENHBSYCFFKJS-VDQVFBMKSA-N
XLogP5.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500204.36
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraene?
The IUPAC name of (3E,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraene (CID 5281516) is (3E,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraene.
What is the SMILES notation for (3E,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraene?
The canonical SMILES for (3E,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraene is C=C/C(C)=C/C/C=C(\C)CCC=C(C)C.
What is the InChIKey of (3E,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraene?
The InChIKey is CXENHBSYCFFKJS-VDQVFBMKSA-N. The full InChI is InChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9-10,12H,1,7-8,11H2,2-5H3/b14-10+,15-12+.
What are the key properties of (3E,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraene?
(3E,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraene has a molecular weight of 204.36 g/mol, XLogP of 5.20, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraene is sourced from PubChem (CID 5281516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).